5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-methoxy-5-methylphenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(2-methoxy-5-methyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H19N3OS2 MolecularWeight: 357.49296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(S2)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(S2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS2/c1-13-8-9-16(22-2)15(10-13)12-23-18-21-20-17(24-18)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,20)